Crystallography Open Database

Information card for entry 4335869

Preview

Coordinates	4335869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H95.5 Mn3 N1.5 O16 S6
Calculated formula	C71 H95.5 Mn3 N1.5 O16 S6
Title of publication	Synthesis, Structure, and Magnetic Properties of Bithiophene- and Terthiophene-Linked Manganese Metal-Organic Frameworks
Authors of publication	Lyndsey D. Earl; Brian O. Patrick; Michael O. Wolf
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10021 - 10030
a	18.515 ± 0.002 Å
b	57.377 ± 0.005 Å
c	48.822 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	51865 ± 9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.1231
Residual factor for significantly intense reflections	0.0886
Weighted residual factors for significantly intense reflections	0.2363
Weighted residual factors for all reflections included in the refinement	0.2588
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4335869.cif
101822	2014-02-18	cif/ Adding structures of 4335869 via cif-deposit CGI script.	4335869.cif